1-Naphthalenemethanol, alpha,alpha-bis(4-(dimethylamino)phenyl)-4-(phenylamino)-
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Basic information
- CAS
6786-83-0- Standard SMILES
CN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(Nc3ccccc3)c3ccccc23)cc1- InChIKey
WNDULEJVCPEASN-UHFFFAOYSA-N- Molecular formula
- C33H33N3O
- Average molar mass
- 487.6 g/mol
- Monoisotopic mass
- 487.26236269
Names & identifiers
- Preferred name
- 1-Naphthalenemethanol, alpha,alpha-bis(4-(dimethylamino)phenyl)-4-(phenylamino)-
- IUPAC
- (4-anilinonaphthalen-1-yl)-bis[4-(dimethylamino)phenyl]methanol
- English name
- Solvent Blue 4
- Molecular formula
- C33H33N3O
- Molecular weight
- 487.63
Names & synonyms
6786-83-01-Naphthalenemethanol, alpha,alpha-bis(4-(dimethylamino)phenyl)-4-(phenylamino)-EINECS 229-851-8alpha,alpha-Bis[4-(dimethylamino)phenyl]-4-(phenylamino)-1-naphthalenemethanolEC 229-851-81-Naphthalenemethanol, .alpha.,.alpha.-bis[4-(dimethylamino)phenyl]-4-(phenylamino)-1-Naphthalenemethanol, alpha,alpha-bis[4-(dimethylamino)phenyl]-4-(phenylamino)-alpha,alpha-Bis(4-(dimethylamino)phenyl)-4-(phenylamino)-1-naphthalenemethanolRefChem:4348011-Naphthalenemethanol, .alpha.,.alpha.-bis4-(dimethylamino)phenyl-4-(phenylamino)-1-Naphthalenemethanol, alpha,alpha-bis4-(dimethylamino)phenyl-4-(phenylamino)-Solvent Blue 4
Show more names
Blue 645C.I. 44045:1Baso Blue 645Oil Violet 4BC.I.Solvent Blue 4Victoria Blue baseSolvent Blue 4 (44045:1)C.I.Solvent Blue 4:C.I.44045:1Solvent Blue 4 ISO 9001：2015 REACH
(4-anilinonaphthalen-1-yl)-bis[4-(dimethylamino)phenyl]methanolDTXSID4064474SOLVENT BLUE 4 (C.I. 44045:1)a,a-Bis[4-(dimethylamino)phenyl]-4-(phenylamino)-1-naphthalenemethanol (Technical Grade)(4-anilino-1-naphthyl)-bis[4-(dimethylamino)phenyl]methanolalpha,alpha-Bis(4-(dimethylamino)phenyl)-4-(phenylamino)naphthalene-1-methanolalpha,alpha-Bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol1325-91-3
Properties
Computed structural propertiesFilling in
- XLogP
- 7.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 660
Physicochemical properties
- Boiling point
- 682.7 · 682.7±55.0 °C(Predicted)
- Density
- 1.199 · 1.199
- vapor pressure
- 0.2 Pa · 0.2Pa at 25℃
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 13.56 · 13.56±0.29(Predicted)
- color
- Dark Red to Very Dark Purple
- Water Solubility
- 6 μg/L · 6μg/L at 25℃
- LogP
- 7.114 at · 7.114 at 25℃
- Substances of Very High Concern (SVHC) Candidate List
- 4 · α,α-Bis[4-(dimethylamino)phenyl]-4 (phenylamino)naphthalene-1-methanol (C.I. Solvent Blue 4) (6786-83-0)
- FDA UNII
- 2 HV4LGD · YBL2HV4LGD
- EPA Substance Registry System
- 1 · 1-Naphthalenemethanol, .alpha.,.alpha.-bis[4-(dimethylamino)phenyl]-4-(phenylamino)- (6786-83-0)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 15.9% (21 of 132) of reports.
Danger
H302 (40.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 132 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory Information
Chemical: 1-Naphthalenemethanol, .alpha.,.alpha.-bis[4-(dimethylamino)phenyl]-4-(phenylamino)-
Hazard Traits - Bioaccumulation; Environmental Persistence
REACH registered substance: α,α-bis[4-(dimethylamino)phenyl]-4-(phenylamino)naphthalene-1-methanol (EC: 229-851-8)
Substance: α,α-Bis[4-(dimethylamino)phenyl]-4 (phenylamino)naphthalene-1-methanol (C.I. Solvent Blue 4)
1-Naphthalenemethanol, .alpha.,.alpha.-bis4-(dimethylamino)phenyl-4-(phenylamino)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Triarylmethane dyes - Solvent Blue 2, 4 and 5: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (40.9%)
Eye irritation - category 2A
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Naphthalenemethanol, .alpha.,.alpha.-bis[4-(dimethylamino)phenyl]-4-(phenylamino)-: ACTIVE
Applications
Usesα,α-Bis[4-(dimethylamino)phenyl]-4-(phenylamino)-1-naphthalenemethanol is a solvent dye also known as solvent blue 4 with potential uses in inks and as a food additive.
Preparation methods
Preparation(a) 4-(Dichloro(4-(dimethylamino)phenyl)methyl)-N,N-dimethylbenzenamine and Naphthalen-1-amine condensation; (b) Bis (4 – (dimethylamino) phenyl) methanol and Naphthalen-1-amine condensation, the product into N – nitroso derivatives and oxidation, remove nitroso.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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